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Basic Information
CAS No.: 244639-03-0
Name: 1-Methyl-1H-1,2,4-triazole-5-methanamine
Molecular Structure:
Molecular Structure of 244639-03-0 (1-Methyl-1H-1,2,4-triazole-5-methanamine)
Formula: C4H8N4
Molecular Weight: 112.13
Synonyms: 1-Methyl-1H-1,2,4-triazole-5-methanamine;
EINECS: 604-604-1
Density: 1.33g/cm3
Boiling Point: 268.3 °C at 760 mmHg
Flash Point: 116.1 °C
PSA: 56.73000
LogP: -0.02590
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Specification

The 1-Methyl-1H-1,2,4-triazole-5-methanamine with the CAS number 244639-03-0 is also called 1H-1,2,4-Triazole-5-methanamine,1-methyl-. The systematic name is (2-methyl-1,2,4-triazol-3-yl)methanamine. Its molecular formula is C4H8N4. The product category is API intermediates.

The properties of the 1-Methyl-1H-1,2,4-triazole-5-methanamine are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2.13; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 56.73Å2; (10)Index of Refraction: 1.637; (11)Molar Refractivity: 30.21 cm3; (12)Molar Volume: 84.1 cm3; (13)Polarizability: 11.97×10-24cm3; (14)Surface Tension: 53.1 dyne/cm; (15)Enthalpy of Vaporization: 50.64 kJ/mol; (16)Vapour Pressure: 0.00774 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cn1c(ncn1)CN
(2)InChI: InChI=1/C4H8N4/c1-8-4(2-5)6-3-7-8/h3H,2,5H2,1H3
(3)InChIKey: UYDIYTPFKQIUCB-UHFFFAOYAW